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Chlorine in PDB 1nud: Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form)

Enzymatic activity of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form)

All present enzymatic activity of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form):
2.3.2.13;

Protein crystallography data

The structure of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form), PDB code: 1nud was solved by B.Ahvazi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.540, 115.370, 121.390, 90.00, 92.66, 90.00
R / Rfree (%) 19.9 / 26.5

Other elements in 1nud:

The structure of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form) also contains other interesting chemical elements:

Bromine (Br) 9 atoms
Calcium (Ca) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form) (pdb code 1nud). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form), PDB code: 1nud:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 1nud

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Chlorine binding site 1 out of 8 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl704

b:29.3
occ:1.00
 N A:SER186 3.3 14.8 1.0
O A:HOH896 3.4 20.5 1.0
CB A:SER186 3.4 14.7 1.0
CA A:ASP183 3.5 16.4 1.0
N A:ASP183 3.5 17.1 1.0
C A:ASP183 3.8 15.7 1.0
N A:LEU185 3.9 14.2 1.0
CA A:SER186 3.9 14.6 1.0
CB A:SER26 4.0 20.7 1.0
CB A:LEU185 4.0 13.6 1.0
N A:ILE184 4.1 14.8 1.0
C A:LEU185 4.2 14.7 1.0
CA A:LEU185 4.3 14.3 1.0
O A:ASP183 4.3 15.3 1.0
OG A:SER26 4.6 20.6 1.0
OD2 A:ASP183 4.7 17.3 1.0
OG A:SER186 4.7 15.2 1.0
C A:ILE184 4.7 14.3 1.0
C A:GLU182 4.8 17.9 1.0
CA A:SER26 4.8 20.2 1.0
CB A:ASP183 4.9 16.6 1.0

Chlorine binding site 2 out of 8 in 1nud

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Chlorine binding site 2 out of 8 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl705

b:31.5
occ:1.00
 NE2 A:GLN669 3.1 21.8 1.0
ND2 A:ASN430 3.5 20.8 1.0
CB A:SER687 3.8 20.8 1.0
CG A:GLN669 3.9 21.1 1.0
CD A:GLN669 3.9 21.5 1.0
SD A:MET685 4.0 16.1 1.0
CG A:MET685 4.0 15.3 1.0
OG A:SER687 4.2 21.8 1.0
CA A:SER687 4.2 20.8 1.0
CB A:GLN669 4.3 20.3 1.0
OD1 A:ASN430 4.4 22.3 1.0
N A:SER687 4.4 19.7 1.0
CG A:ASN430 4.4 21.1 1.0
CA A:GLN669 4.8 20.0 1.0
C A:LEU686 4.8 18.5 1.0
CD1 A:ILE161 4.8 8.1 1.0
OE1 A:GLN669 5.0 21.6 1.0

Chlorine binding site 3 out of 8 in 1nud

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Chlorine binding site 3 out of 8 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl706

b:34.1
occ:0.75
 O A:HOH723 3.7 8.1 1.0
NE2 A:HIS20 4.1 18.6 1.0
CB A:TRP137 4.3 12.0 1.0
OE1 A:GLN35 4.5 10.5 1.0
O A:HOH813 4.6 15.9 1.0
NE2 A:GLN35 4.6 11.4 1.0
CD A:GLN35 4.6 11.3 1.0
O A:TRP137 4.8 14.0 1.0
CG A:TRP137 4.9 10.8 1.0
CD1 A:TRP137 4.9 10.4 1.0
CD2 A:HIS20 5.0 18.1 1.0

Chlorine binding site 4 out of 8 in 1nud

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Chlorine binding site 4 out of 8 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl707

b:13.7
occ:0.80
 NH2 A:ARG291 2.8 9.2 1.0
O A:HOH885 3.0 9.9 1.0
NH1 A:ARG291 3.2 9.4 1.0
O A:HOH825 3.2 25.1 1.0
CE A:MET433 3.4 23.2 1.0
CZ A:ARG291 3.4 9.8 1.0
CG1 A:VAL435 3.8 16.7 1.0
NE1 A:TRP349 3.9 12.5 1.0
CD1 A:TRP349 4.1 12.6 1.0
CE A:LYS438 4.3 20.1 1.0
CG A:LYS438 4.5 19.1 1.0
CB A:VAL435 4.7 17.2 1.0
NE A:ARG291 4.8 9.9 1.0
CD A:LYS438 4.8 19.6 1.0
O A:HOH833 4.9 6.4 1.0
CE2 A:TRP349 5.0 12.6 1.0

Chlorine binding site 5 out of 8 in 1nud

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Chlorine binding site 5 out of 8 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl704

b:37.6
occ:1.00
 N B:SER186 3.4 13.1 1.0
CA B:ASP183 3.4 15.0 1.0
CB B:SER186 3.4 14.0 1.0
N B:ASP183 3.6 15.8 1.0
C B:ASP183 3.7 14.3 1.0
CA B:SER186 4.0 13.4 1.0
OE1 B:GLU28 4.0 22.9 1.0
O B:ASP183 4.0 14.1 1.0
CB B:SER26 4.0 20.3 1.0
N B:LEU185 4.1 12.3 1.0
CB B:LEU185 4.1 11.9 1.0
OD2 B:ASP183 4.2 16.1 1.0
N B:ILE184 4.3 13.4 1.0
C B:LEU185 4.4 12.7 1.0
CA B:LEU185 4.4 12.4 1.0
O B:HOH787 4.4 15.2 1.0
OG B:SER26 4.6 19.5 1.0
OG B:SER186 4.7 14.5 1.0
CB B:ASP183 4.7 15.2 1.0
C B:GLU182 4.9 16.5 1.0
C B:ILE184 4.9 12.8 1.0
CG B:ASP183 5.0 16.1 1.0
CG B:LEU185 5.0 11.4 1.0
CA B:SER26 5.0 20.3 1.0

Chlorine binding site 6 out of 8 in 1nud

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Chlorine binding site 6 out of 8 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl705

b:38.8
occ:1.00
 ND2 B:ASN430 3.5 20.1 1.0
CG B:GLN669 3.6 20.4 1.0
NE2 B:GLN669 3.7 20.4 1.0
CB B:GLN669 3.7 20.2 1.0
CB B:SER687 3.9 17.1 1.0
CD B:GLN669 4.1 20.5 1.0
OG B:SER687 4.1 16.9 1.0
CA B:SER687 4.3 17.9 1.0
SD B:MET685 4.3 20.2 1.0
CA B:GLN669 4.4 20.0 1.0
CG B:ASN430 4.4 20.4 1.0
OD1 B:ASN430 4.5 20.6 1.0
CG B:MET685 4.6 18.0 1.0
N B:SER687 4.8 17.5 1.0
O B:LYS668 4.9 23.8 1.0

Chlorine binding site 7 out of 8 in 1nud

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Chlorine binding site 7 out of 8 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl706

b:30.7
occ:0.75
 O B:HOH824 2.6 8.5 1.0
OE1 B:GLN35 4.4 18.4 1.0
O B:TRP137 4.7 14.7 1.0
CD B:GLN35 4.7 18.5 1.0

Chlorine binding site 8 out of 8 in 1nud

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Chlorine binding site 8 out of 8 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 Calciums, Active Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl707

b:17.5
occ:0.80
 NH2 B:ARG291 2.9 14.9 1.0
NH1 B:ARG291 3.2 14.8 1.0
CZ B:ARG291 3.5 15.0 1.0
O B:HOH835 3.6 25.1 1.0
NE1 B:TRP349 4.0 12.2 1.0
CG1 B:VAL435 4.1 22.8 1.0
CE B:LYS438 4.5 23.6 1.0
CD1 B:TRP349 4.5 12.5 1.0
SD B:MET433 4.5 27.7 1.0
CG B:LYS438 4.5 23.1 1.0
CD B:LYS438 4.8 23.3 1.0
NE B:ARG291 4.8 14.7 1.0
CB B:VAL435 4.8 23.0 1.0

Reference:

B.Ahvazi, K.M.Boeshans, W.Idler, U.Baxa, P.M.Steinert. Roles of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme J.Biol.Chem. V. 278 23834 2003.
ISSN: ISSN 0021-9258
PubMed: 12679341
DOI: 10.1074/JBC.M301162200
Page generated: Sat Jul 20 00:38:15 2024

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